Drug General Information
Drug ID
DXU97C
Drug Name
N-tert-Butyl-2-((3R,5S)-5-cyclohexylmethyl-8-methyl-2-oxo-3-{3-[3-(1H-tetrazol-5-yl)-phenyl]-ureido}-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide
Synonyms
CHEMBL59234
Indication Discovery agent Investigative [1587926]
Formula
C32H42N8O3
Canonical SMILES
Cc1ccc2[C@@H](CC3CCCCC3)C[C@@H](NC(=O)Nc4cccc(c4)c5nn[nH]n5)C(=O)N(CC(=O)NC(C)(C)C)c2c1
InChI
InChI=1S/C32H42N8O3/c1-20-13-14-25-23(16-21-9-6-5-7-10-21)18-26(30(42)40(27(25)15-20)19-28(41)35-32(2,3)4)34-31(43)33-24-12-8-11-22(17-24)29-36-38-39-37-29/h8,11-15,17,21,23,26H,5-7,9-10,16,18-19H2,1-4H3,(H,35,41)(H2,33,34,43)(H,36,37,38,39)/t23-,26+/m0/s1
InChIKey
IRCIITOKKBCNGO-JYFHCDHNSA-N
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info [1587926]
Cholecystokinin receptor type A Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPKR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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